ISSN:
1434-6036
Keywords:
63.20.Dj
;
63.20.-e
;
02.30.+g
Source:
Springer Online Journal Archives 1860-2000
Topics:
Physics
Notes:
Abstract Based on an ab initio cohesive energy calculation and a model of three-body interaction, the pair potential can be calculated using the Möbius inversion theorem in the theory of numbers. Then the atomic force constants and the phonon dispersion for A1 are evaluated both with and without three-body interaction. Compared with experiments, the results show that taking the three-body interaction into account considerably improves the dispersions. Contrary to previous work, the method for calculating the atomic force constants and phonon dispersions presented here is simple, with only two adjustable parameters.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF01343956
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